SCHEMBL12480504

SCHEMBL12480504

Cc1ccc2[nH]c3c(c2c1)C(C)N(C)CC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
MCHR1 Q99705 1/20 0.50
ACHE P22303 4/20 0.49
GRIN1 Q05586 3/20 0.49
GRIN2A Q12879 3/20 0.49
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
BAZ2B Q9UIF8 1/20 0.46
KIF11 P52732 1/20 0.43
LMNA P02545 1/20 0.43
PABPC1 P11940 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3720921 0.84 MCHR1 (0.51) MCHR1BAZ2BKIF11LMNA
SCHEMBL15570026 0.81 L3MBTL1 (0.49) L3MBTL1MCHR1ACHEGRIN1GRIN2A
SCHEMBL3322005 0.79 L3MBTL1 (0.47) L3MBTL1MCHR1ACHEGRIN1GRIN2A
SCHEMBL2186548 0.78 MCHR1 (0.54) L3MBTL1MCHR1ACHEGRIN1GRIN2A
SCHEMBL1120729 0.77 KIF11 (0.60) L3MBTL1ACHEGRIN1GRIN2AGRIN2D
SCHEMBL2188382 0.76 SIRT2 (0.47) L3MBTL1MCHR1ACHEGRIN1GRIN2A
SCHEMBL26837002 0.75 L3MBTL1 (0.54) L3MBTL1MCHR1ACHEGRIN1GRIN2A
SCHEMBL3036090 0.75 L3MBTL1 (0.43) L3MBTL1MCHR1ACHEGRIN1GRIN2A
SCHEMBL1446193 0.74 MCHR1 (0.47) L3MBTL1MCHR1ACHEGRIN1GRIN2A
Pyridine SCHEMBL2190976 0.74 L3MBTL1 (0.42) L3MBTL1MCHR1ACHEGRIN1GRIN2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-8815843-B2 Compounds and methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2014-08-26 US disclosed
US-8791132-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-29 US disclosed
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-03-27 US disclosed
EP-2675458-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION Medivation Technologies, Inc. (US) 2013-12-25 EP disclosed
EP-2675459-A1 COMPOUNDS AND METHODS OF TREATING DIABETES Medivation Technologies, Inc. (US) 2013-12-25 EP disclosed
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
WO-2012154261-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-11-15 WO disclosed
WO-2012112966-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2012-08-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 L3MBTL1 3727/4885MCHR1 88/4885ACHE 3259/4885
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES ADRB2, ADRA2B, ADRA2C L3MBTL1 4156/4885MCHR1 124/4885ACHE 1588/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 L3MBTL1 3727/4885MCHR1 88/4885ACHE 3259/4885
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 L3MBTL1 3727/4885MCHR1 88/4885ACHE 3259/4885
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C L3MBTL1 4115/4885MCHR1 119/4885ACHE 1536/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.